SCHEMBL20615702

SCHEMBL20615702

C[C@@H](NC(=O)c1ccc(Cl)s1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GPR119 Q8TDV5 4/20 0.45
STS P08842 3/20 0.43
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42
AEBP2 Q6ZN18 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPN6 P29350 1/20 0.42
MMP13 P45452 2/20 0.42
MMP1 P03956 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20615740 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL20601096 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL20601090 0.89 ALDH1A1 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL22022722 0.89 ALDH1A1 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL20615699 0.89 ALDH1A1 (0.45) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL20615622 0.88 ALDH1A1 (0.44) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL20600909 0.88 ALDH1A1 (0.44) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL20615831 0.88 ALDH1A1 (0.44) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL20615694 0.88 ALDH1A1 (0.43) SMN1; SMN2NPC1ALDH1A1MAPTMAPK1
SCHEMBL28351339 0.85 GPR119 (0.46) NPC1ALDH1A1MAPTMAPK1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-02-23 US disclosed
US-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-05-28 US disclosed
WO-2019003141-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200165201-A1 MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, TPH1 SMN1; SMN2 2957/4885NPC1 984/4885ALDH1A1 816/4885
US-10927078-B2 Modulators of indoleamine 2,3-dioxygenase IDO1, IDO2, TPH1 SMN1; SMN2 2957/4885NPC1 984/4885ALDH1A1 816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.